(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium

C21H20N3OS+ — CID 9050893

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium
SMILESCc1ccc2nc(C[NH2+][C@H](c3ccccc3)c3cccs3)cc(=O)n2c1
InChIInChI=1S/C21H19N3OS/c1-15-9-10-19-23-17(12-20(25)24(19)14-15)13-22-21(18-8-5-11-26-18)16-6-3-2-4-7-16/h2-12,14,21-22H,13H2,1H3/p+1/t21-/m1/s1
InChIKeyBEUFEWSAFOVRGO-OAQYLSRUSA-O
MW362.48 g/mol
LogP2.92
Rot. Bonds5

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium (PubChem CID 9050893) has the molecular formula C21H20N3OS+ and a molecular weight of 362.48 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium
PubChem CID9050893
Molecular FormulaC21H20N3OS+
Molecular Weight362.48 g/mol
Exact Mass362.13
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium
SMILESCc1ccc2nc(C[NH2+][C@H](c3ccccc3)c3cccs3)cc(=O)n2c1
InChIInChI=1S/C21H19N3OS/c1-15-9-10-19-23-17(12-20(25)24(19)14-15)13-22-21(18-8-5-11-26-18)16-6-3-2-4-7-16/h2-12,14,21-22H,13H2,1H3/p+1/t21-/m1/s1
InChIKeyBEUFEWSAFOVRGO-OAQYLSRUSA-O
XLogP2.92
TPSA50.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium with MolForge

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Related Compounds

[(R)-(4-butylphenyl)-thiophen-2-ylmethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8993460
[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 8996641
2-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 2096543
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8718373
2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]benzoic acid
CID 42917021
[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
CID 8867233
2-[[[(R)-furan-2-yl(phenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8755206
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 55354994
7-methyl-2-[(2-methylquinazolin-4-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 7133950
2-(2-aminoethylsulfanylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43249315
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7542894
[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135722510

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium (CID 9050893) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium is Cc1ccc2nc(C[NH2+][C@H](c3ccccc3)c3cccs3)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
The InChIKey is BEUFEWSAFOVRGO-OAQYLSRUSA-O. The full InChI is InChI=1S/C21H19N3OS/c1-15-9-10-19-23-17(12-20(25)24(19)14-15)13-22-21(18-8-5-11-26-18)16-6-3-2-4-7-16/h2-12,14,21-22H,13H2,1H3/p+1/t21-/m1/s1.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium has a molecular weight of 362.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium is sourced from PubChem (CID 9050893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).